[Pw_forum] TAGS for simulate annealing

Paolo Giannozzi giannozz at democritos.it
Thu Feb 16 21:43:51 CET 2012


On Feb 16, 2012, at 7:33 , YY wrote:

>    ion_temperature = 'reduce-T'
>    delta_t = 2

you need delta_t < 0 to reduce the temperature; delta_t > 0
]has no effect. Not sure this is the smartest choice but it
is how it works now

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







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